chloral hydrate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
586 302-17-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • chloral hydrate
  • chloraldurat
  • nycoton
  • phaldrone
  • trichloroacetaldehyde hydrate
A hypnotic and sedative used in the treatment of INSOMNIA.
  • Molecular weight: 165.39
  • Formula: C2H3Cl3O2
  • CLOGP: 0.72
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 2
  • TPSA: 40.46
  • ALOGS: -0.58
  • ROTB: 1

Drug dosage:

DoseUnitRoute
1 g O
1 g R

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 8300 mg/mL Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 86.37 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 51
kinase-selectivity-class AXL,BRAF,GRK2,MAP2K6,PDK1,PDK2,PIK3CD,PIK3CG 8
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1840 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Schizophrenia 875.92 179.11 184 3441 14730 90610092
Hypomania 796.70 179.11 156 3469 8741 90616081
Jaundice cholestatic 747.90 179.11 151 3474 9892 90614930
Cholelithiasis 645.76 179.11 184 3441 52322 90572500
Psychotic disorder 572.57 179.11 150 3475 31080 90593742
Blood bilirubin increased 532.45 179.11 152 3473 43318 90581504
Hepatotoxicity 524.46 179.11 152 3473 45690 90579132
Asthma-chronic obstructive pulmonary disease overlap syndrome 432.36 179.11 85 3540 4814 90620008
Total lung capacity increased 430.28 179.11 85 3540 4936 90619886
Sarcoidosis 366.40 179.11 85 3540 10588 90614234
Nasal polyps 364.77 179.11 85 3540 10795 90614027
Rhinitis allergic 328.15 179.11 85 3540 16700 90608122
Cardiac murmur 326.15 179.11 86 3539 18108 90606714
Bronchiectasis 304.11 179.11 85 3540 22245 90602577
Lung neoplasm malignant 244.05 179.11 73 3552 24200 90600622
Hepatic enzyme increased 225.39 179.11 153 3472 360583 90264239
Pneumonia 208.54 179.11 184 3441 637875 89986947
Chronic obstructive pulmonary disease 204.47 179.11 85 3540 73744 90551078

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Respiratory failure 82.41 50.04 39 584 128093 42492619
Sedation complication 73.16 50.04 15 608 2904 42617808
Hypoventilation 63.62 50.04 14 609 3788 42616924
Necrotising enterocolitis neonatal 51.34 50.04 8 615 323 42620389

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Schizophrenia 831.53 86.13 188 4129 21638 110563344
Hypomania 784.53 86.13 157 4160 10053 110574929
Jaundice cholestatic 705.89 86.13 153 4164 14455 110570527
Cholelithiasis 632.54 86.13 188 4129 63234 110521748
Psychotic disorder 520.54 86.13 154 4163 50783 110534199
Hepatotoxicity 487.30 86.13 154 4163 63246 110521736
Blood bilirubin increased 455.94 86.13 153 4164 75819 110509163
Total lung capacity increased 442.83 86.13 87 4230 5025 110579957
Asthma-chronic obstructive pulmonary disease overlap syndrome 424.09 86.13 87 4230 6257 110578725
Sarcoidosis 364.78 86.13 87 4230 12492 110572490
Nasal polyps 360.61 86.13 87 4230 13113 110571869
Rhinitis allergic 339.03 86.13 88 4229 17834 110567148
Cardiac murmur 306.79 86.13 87 4230 24541 110560441
Bronchiectasis 273.03 86.13 87 4230 36406 110548576
Hepatic enzyme increased 252.38 86.13 156 4161 320736 110264246
Lung neoplasm malignant 225.83 86.13 74 4243 33768 110551214
Chronic obstructive pulmonary disease 180.48 86.13 87 4230 109071 110475911
Vomiting 178.95 86.13 197 4120 910478 109674504
Pneumonia 178.05 86.13 193 4124 876521 109708461
Gastrooesophageal reflux disease 147.35 86.13 90 4227 179886 110405096
Condition aggravated 145.72 86.13 160 4157 734676 109850306
Nausea 122.50 86.13 191 4126 1235499 109349483
Wheezing 116.58 86.13 89 4228 255141 110329841
Oedema peripheral 108.82 86.13 95 4222 328565 110256417

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC N05CC01 NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Aldehydes and derivatives
MeSH PA D002492 Central Nervous System Depressants
MeSH PA D006993 Hypnotics and Sedatives
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35476 antipsychotic agent
CHEBI has role CHEBI:35703 xenobiotic
CHEBI has role CHEBI:35717 sedative
CHEBI has role CHEBI:38869 general anaesthetic
CHEBI has role CHEBI:75771 mouse metabolite

Related Drugs by ATC class:

N05CC Aldehydes and derivatives 3 drugs
acetylglycinamide chloral hydratechloralodolparaldehyde

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
General anesthesia indication 50697003
Insomnia indication 193462001
Sedation off-label use 72641008
Proctitis contraindication 3951002 DOID:3127
Gastritis contraindication 4556007 DOID:4029
Peptic ulcer contraindication 13200003 DOID:750
Esophagitis contraindication 16761005 DOID:11963
Inflammatory bowel disease contraindication 24526004 DOID:0050589
Acute nephropathy contraindication 58574008
Hepatic failure contraindication 59927004
Substance abuse contraindication 66214007
Acute disease of cardiovascular system contraindication 128487001
Acute intermittent porphyria contraindication 234422006 DOID:3890




🐶 Veterinary Drug Use

SpeciesUseRelation
Cattle General anesthesia Indication
Cattle Sedation Indication
Horses General anesthesia Indication
Horses Sedation Indication

🐶 Veterinary products

ProductApplicantIngredients
Chloropent Zoetis Inc. 3

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.9 acidic
pKa2 13.19 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4017726 VUID
N0000146094 NUI
D00265 KEGG_DRUG
2344 RXNORM
C0008161 UMLSCUI
CHEBI:28142 CHEBI
CHEMBL455917 ChEMBL_ID
DB01563 DRUGBANK_ID
D002697 MESH_DESCRIPTOR_UI
2707 PUBCHEM_CID
418M5916WG UNII
3870 MMSL
4404 MMSL
d00147 MMSL
001427 NDDF
273948005 SNOMEDCT_US
28748001 SNOMEDCT_US
4017726 VANDF

Pharmaceutical products:

None